is_in_virt_mask Function

public function is_in_virt_mask(orb, part_type)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: orb
integer, intent(in), optional :: part_type

Return Value logical


Contents

Source Code

is_in_virt_mask

Source Code

    logical function is_in_virt_mask(orb, part_type)
        ! also write a quicker routine which checks if an orbital is in
        ! the virtual electron mask
        integer, intent(in) :: orb
        integer, intent(in), optional :: part_type

        integer :: temp_part_type
        integer(n_int) :: temp_ilut(0:niftot)

        if (present(part_type)) then
            temp_part_type = part_type
        else
            temp_part_type = 1
        end if

        temp_ilut = mask_virt_ilut(:, part_type_to_run(temp_part_type))
        is_in_virt_mask = (IsOcc(temp_ilut, orb))

    end function is_in_virt_mask